methyl 4-[[2-[(4-fluorophenyl)sulfonyl-phenyl-amino]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(4-fluorophenyl)sulfonyl-phenyl-amino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(N-(4-fluorophenyl)sulfonylanilino)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]methyl]benzoic acid methyl ester Formula: C23H21FN2O5S MolecularWeight: 456.486643

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H21FN2O5S/c1-31-23(28)18-9-7-17(8-10-18)15-25-22(27)16-26(20-5-3-2-4-6-20)32(29,30)21-13-11-19(24)12-14-21/h2-14H,15-16H2,1H3,(H,25,27)